4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide

C19H23N3O4 — CID 110514915

IUPAC4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(OC)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-4-9-26-18-16(24-2)10-13(11-17(18)25-3)12-21-22-19(23)14-5-7-15(20)8-6-14/h5-8,10-12H,4,9,20H2,1-3H3,(H,22,23)/b21-12-
InChIKeyNJZBAEHVCQZZFY-MTJSOVHGSA-N
MW357.41 g/mol
LogP2.84
Rot. Bonds8

About 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide

4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 110514915) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
PubChem CID110514915
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(OC)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-4-9-26-18-16(24-2)10-13(11-17(18)25-3)12-21-22-19(23)14-5-7-15(20)8-6-14/h5-8,10-12H,4,9,20H2,1-3H3,(H,22,23)/b21-12-
InChIKeyNJZBAEHVCQZZFY-MTJSOVHGSA-N
XLogP2.84
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 29148846
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076
N-[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126317717
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
4-amino-N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909101
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659125

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide (CID 110514915) is 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide is CCCOc1c(OC)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1OC.
What is the InChIKey of 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is NJZBAEHVCQZZFY-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-9-26-18-16(24-2)10-13(11-17(18)25-3)12-21-22-19(23)14-5-7-15(20)8-6-14/h5-8,10-12H,4,9,20H2,1-3H3,(H,22,23)/b21-12-.
What are the key properties of 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110514915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).